SCHEMBL4852044

SCHEMBL4852044

c1ccc2cc3c4c(ccc3cc2c1)-c1cccc2cccc-4c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
HSD17B10 Q99714 7/20 0.55
HPGD P15428 5/20 0.55
MAPK1 P28482 4/20 0.55
TSHR P16473 4/20 0.55
CASP1 P29466 3/20 0.55
HIF1A Q16665 3/20 0.55
CASP7 P55210 2/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 2/20 0.50
CES1 P23141 2/20 0.46
ANPEP P15144 1/20 0.46
CYP1A2 P05177 4/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
DNMT1 P26358 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28774117 0.89 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL30332669 0.86 CES1 (0.45) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL30332860 0.85 CES1 (0.44) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL3869266 0.85 CES1 (0.44) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL29410607 0.85 CES1 (0.44) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL9131092 0.84 DNMT1 (0.47) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL29810631 0.83 CES1 (0.43) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL31122661 0.83 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDMAPK1TSHR
Benzo(J)Fluoranthene SCHEMBL69111 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDMAPK1TSHR
SCHEMBL4847669 0.82 CES1 (0.56) ALDH1A1HSD17B10HPGDMAPK1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108147493-A The purification method of polycyclic aromatic hydrocarbon in a kind of breeding water body 上海海洋大学 2018-06-12 CN claimed
CN-110574180-A Organic electroluminescent element 日铁化学材料株式会社 2019-12-13 CN disclosed
US-20160141506-A1 NAPHTHO[2,1-b]FLUORANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, LIGHTING APPARATUS, IMAGE FORMING APPARATUS, AND EXPOSING APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-05-19 US disclosed
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed
EP-0025919-B1 A PROCESS FOR PREFERENTIALLY REMOVING MORE PLANAR MOLECULES FROM MIXTURES WITH LESS PLANAR MOLECULES ROHM AND HAAS COMPANY (US) 1985-12-04 EP disclosed
US-4267055-A ADSORPTION ON MACROPOROUS POLYMER ROHM AND HAAS COMPANY (US) 1981-05-12 US disclosed
EP-0025919-A1 A process for preferentially removing more planar molecules from mixtures with less planar molecules ROHM AND HAAS COMPANY (US) 1981-04-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160141506-A1 NAPHTHO[2,1-b]FLUORANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, LIGHTING APPARATUS, IMAGE FORMING APPARATUS, AND EXPOSING APPARATUS NAP1L1, NR0B2, AFF1 ALDH1A1 479/4885HSD17B10 602/4885HPGD 2729/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.